General Information of the Compound
| Compound ID |
CP0458352
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}propyl)-3-propoxy-4-biphenylcarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30ClNO4
|
||||||||||||||||||
| Molecular Weight |
467.993
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1cc(ccc1C(O)=O)-c1ccc(CCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30ClNO4/c1-2-15-33-26-17-21(12-13-24(26)27(31)32)20-10-8-19(9-11-20)5-4-14-29-18-25(30)22-6-3-7-23(28)16-22/h3,6-13,16-17,25,29-30H,2,4-5,14-15,18H2,1H3,(H,31,32)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTQUZRWSFLCBAS-VWLOTQADSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor